6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C21H26FN3O2 — CID 146286128

IUPAC6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc([C@H]2CCCN(C(C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C21H26FN3O2/c1-13-9-17(10-14(2)23-13)16-5-4-6-25(12-16)15(3)20-18(22)11-19-21(24-20)27-8-7-26-19/h9-11,15-16H,4-8,12H2,1-3H3/t15?,16-/m0/s1
InChIKeyYRLNBQGUZKDWFO-LYKKTTPLSA-N
MW371.46 g/mol
LogP3.94
Rot. Bonds3

About 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146286128) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146286128
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc([C@H]2CCCN(C(C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C21H26FN3O2/c1-13-9-17(10-14(2)23-13)16-5-4-6-25(12-16)15(3)20-18(22)11-19-21(24-20)27-8-7-26-19/h9-11,15-16H,4-8,12H2,1-3H3/t15?,16-/m0/s1
InChIKeyYRLNBQGUZKDWFO-LYKKTTPLSA-N
XLogP3.94
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146286128) is 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc([C@H]2CCCN(C(C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1.
What is the InChIKey of 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is YRLNBQGUZKDWFO-LYKKTTPLSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-13-9-17(10-14(2)23-13)16-5-4-6-25(12-16)15(3)20-18(22)11-19-21(24-20)27-8-7-26-19/h9-11,15-16H,4-8,12H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 371.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146286128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).